2-(Trifluoromethyl)-1H-benzimidazole

C₈H₅F₃N₂CAS 312-73-2186.14 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₈H₅F₃N₂
Molar mass: 186.14 g/mol
Exact mass: 186.0405 Da
Melting point: 209.5 °C
logP: 2.58Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H300 Fatal if swallowed97.5% of notifiers
H311 Toxic in contact with skin100% of notifiers
H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H331 Toxic if inhaled100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

312-73-2

SMILES

FC(F)(F)c1nc2ccccc2[nH]1

InChIKey

MXFMPTXDHSDMTI-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H,(H,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

1H-Benzimidazole, 2-(trifluoromethyl)-
Benzimidazole, 2-(trifluoromethyl)-
2-(Trifluoromethyl)benzimidazole
NSC 512765
NSC 97013
2-(Trifluoromethyl)-1H-1,3-benzodiazole
2-(Trifluoromethyl)-1H-benzo[d]imidazole
2-Trifluoromethyl-1H-benzoimidazole

Work with 2-(Trifluoromethyl)-1H-benzimidazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Trifluoromethyl)-3,4-dihydroquinazolin-4-one26059-81-457 % similar 5-Amino-2-(trifluoromethyl)benzimidazole3671-66-757 % similar 2-Bromo-1H-benzimidazole54624-57-652 % similar 6-Nitro-2-(trifluoromethyl)-1H-benzimidazole327-19-549 % similar 2-(Hydroxymethyl)-1H-benzimidazole4856-97-748 % similar 2-Phenylbenzimidazole716-79-048 % similar 2-Difluoromethyl-1H-benzoimidazole705-09-947 % similar 2,6-Bis(2-benzimidazolyl)pyridine28020-73-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-4-(trifluoromethyl)benzonitrile1483-54-1 2-Amino-5-cyanobenzotrifluoride327-74-2 2-Amino-3-(trifluoromethyl)benzonitrile58458-14-3 4-Cyano-3-(trifluoromethyl)aniline654-70-6

Elsewhere

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